SCHEMBL29730191

SCHEMBL29730191

O=C(O)CN(CC(=O)O)Cc1cccc(-c2cc(-c3ccc(-c4ccc(Nc5nc(Cl)nc(Cl)n5)cc4)cc3)cc(-c3cccc(CN(CC(=O)O)CC(=O)O)n3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.41
NFKB1 P19838 4/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.36
PDE4B Q07343 4/20 0.35
PDE4D Q08499 4/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7199262 0.90 TXN (0.39) TXNNFKB1MEN1KMT2AMAPT
SCHEMBL13997749 0.82 LTB4R (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9594349 0.79 LTB4R (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13997750 0.79 LTB4R (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8765283 0.76 MCL1 (0.45) MAPK1CA9ALDH1A1KDM4ELMNA
SCHEMBL8755137 0.76 LTB4R (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6161950 0.76 TDP1 (0.37) MEN1KMT2ACA1CA2KDM4E
SCHEMBL9296643 0.74 LTB4R (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8765490 0.74 TDP1 (0.38) KDM4ELMNA
SCHEMBL13217240 0.74 MCL1 (0.42) CA9ALDH1A1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561783-A Biomass liquid crystal self-curing epoxy monomer, epoxy resin and preparation method 苏州大学 2024-08-30 CN disclosed
CN-117003713-B Biomass epoxy monomer and biomass high-heat-resistance self-repairing epoxy resin 苏州大学 2024-05-28 CN disclosed
CN-117003713-A Biomass epoxy monomer and biomass high-heat-resistance self-repairing epoxy resin 苏州大学 2023-11-07 CN disclosed
CN-114758170-A Three-branch three-attention mechanism hyperspectral image classification method combined with D3D 内蒙古农业大学 2022-07-15 CN disclosed